Density functional theory (B3LYP/6-31G\*) has been used to study the mechanism of deuterium/hydrogen exchange which is known to occur from mass spectrometric studies of D 2 plus FeC 5 H 6 ฯฉ . The computational results are in accord with the currently accepted mechanism. There is a fast equilibrium b
Theoretical Study of Geometric Phase Effects in the Hydrogen-Exchange Reaction
โ Scribed by Juanes-Marcos, J. C.
- Book ID
- 127334334
- Publisher
- American Association for the Advancement of Science
- Year
- 2005
- Tongue
- English
- Weight
- 600 KB
- Volume
- 309
- Category
- Article
- ISSN
- 0036-8075
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